methyl (2S)-6-[hexadecanoyl(oxidanyl)amino]-2-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: methyl (2S)-6-[hexadecanoyl(oxidanyl)amino]-2-(phenylmethoxycarbonylamino)hexanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-6-[hexadecanoyl(hydroxy)amino]hexanoate CAS Name: (2S)-6-[hydroxy(1-oxohexadecyl)amino]-2-(phenylmethoxycarbonylamino)hexanoic acid methyl ester IUPAC Name: methyl (2S)-6-[hexadecanoyl(hydroxy)amino]-2-(phenylmethoxycarbonylamino)hexanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-6-[hexadecanoyl(hydroxy)amino]hexanoic acid methyl ester Formula: C31H52N2O6 MolecularWeight: 548.75438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)N(CCCCC(C(=O)OC)NC(=O)OCC1=CC=CC=C1)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N(CCCC[C@@H](C(=O)OC)NC(=O)OCC1=CC=CC=C1)O

InChI

InChI=1S/C31H52N2O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-24-29(34)33(37)25-20-19-23-28(30(35)38-2)32-31(36)39-26-27-21-16-15-17-22-27/h15-17,21-22,28,37H,3-14,18-20,23-26H2,1-2H3,(H,32,36)/t28-/m0/s1